CAS No.5979-11-3,N-FORMYL-MET-LEU-PHE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5979-11-3
Name:	N-FORMYL-MET-LEU-PHE

Formula:	C₅₀H₇₃N₁₅O₁₁.3C₂H₄O₂
Molecular Weight:	1240.38
Synonyms:	N⁵-(Diaminomethylidene)ornithylprolylprolylglycylphenylalanylserylprolylphenylalanyl-N5-(diaminomethylidene)ornithine acetate (1:3);Bradykinin, triacetate (salt);
EINECS:	227-781-2
Melting Point:	150-160℃
Boiling Point:	1618.8 °C at 760 mmHg
Flash Point:	932.8 °C
Solubility:	DMF: 50 mg/mL, clear, colorless
Appearance:	white powder
Safety:	22-24/25
PSA:	525.68000
LogP:	1.55400

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Specification

This chemical is called Bradykinin triacetate, and its systematic name is N⁵-(Diaminomethylidene)ornithylprolylprolylglycylphenylalanylserylprolylphenylalanyl-N5-(diaminomethylidene)ornithine acetate (1:3). With the molecular formula of C₅₀H₇₃N₁₅O₁₁.3C₂H₄O₂, its product categories are Amino Acids; Peptide. The CAS registry number of this chemical is 5979-11-3. Additionally, it should be stored at 2-8°C.

Other characteristics of the Bradykinin triacetate can be summarised as followings: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.3; (4)ACD/LogD (pH 7.4): -3.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 26; (10)#H bond donors: 17; (11)#Freely Rotating Bonds: 29; (12)Polar Surface Area: 238.93 Å²; (13)Flash Point: 932.8 °C; (14)Enthalpy of Vaporization: 265.84 kJ/mol; (15)Boiling Point: 1618.8 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: Don't breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(NC(C(=O)NC(C(=O)O)CCC/N=C(\N)N)Cc1ccccc1)C5N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C3N(C(=O)C2N(C(=O)C(N)CCC/N=C(\N)N)CCC2)CCC3)Cc4ccccc4)CO)CCC5.O=C(O)C.O=C(O)C.O=C(O)C
2.InChI: InChI=1/C50H73N15O11.3C2H4O2/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55;3*1-2(3)4/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57);3*1H3,(H,3,4)
3.InChIKey: GGIQAOBCVDFMSP-UHFFFAOYAI